Geometry & MOs

Info

ID:	66838
PubChem CID:	46505356
Reduced:	SN4O5C23H26 (1)
Stoich.:	AB4C5D23E26 (1)
Weight, g/mol:	440.151826
ΔH_f, kcal/mol:	-149.18
Dipole, Da:	2.7
IP(EA), eV:	-8.58(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-acetamidoethyl)-1-(3-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC(=O)NCCN1C(C(=O)N(C1=S)C2=CC(=CC=C2)OC)CC(=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations